3-[4-[4-(4-azanylbutyl)piperazin-1-yl]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[4-[4-(4-azanylbutyl)piperazin-1-yl]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-[4-(4-aminobutyl)piperazin-1-yl]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[4-[4-(4-aminobutyl)-1-piperazinyl]-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-[4-(4-aminobutyl)piperazin-1-yl]-3-nitrophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-[4-(4-aminobutyl)piperazino]-3-nitro-phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one Formula: C19H28N6O3 MolecularWeight: 388.46402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)CCCCN)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NN=C1C2=CC(=C(C=C2)N3CCN(CC3)CCCCN)[N+](=O)[O-]

InChI

InChI=1S/C19H28N6O3/c1-14-12-18(26)21-22-19(14)15-4-5-16(17(13-15)25(27)28)24-10-8-23(9-11-24)7-3-2-6-20/h4-5,13-14H,2-3,6-12,20H2,1H3,(H,21,26)